Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene

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Brunetto, G.
Autreto, P. A S
Machado, L. D.
Santos, B. I.
dos Santos, R. P. B. [UNESP]
Galvao, D. S.

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Amer Chemical Soc


Graphene is considered one of the most promising materials for future electronics. However, in its pristine form, graphene is a gapless material, which imposes limitations to its use in some electronic applications. To solve this problem, many approaches have been tried, such as physical and chemical functionalizations. These processes compromise some of the desirable graphene properties. In this work, based on ab initio quantum molecular dynamics, we showed that a two-dimensional carbon allotrope, named biphenylene carbon (BPC), can be obtained from selective dehydrogenation of porous graphene. BPC presents a nonzero bandgap and well-delocalized frontier orbitals. Synthetic routes to BPC are also addressed.



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Journal of Physical Chemistry C. Washington: Amer Chemical Soc, v. 116, n. 23, p. 12810-12813, 2012.